MMsINC Database Search


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MMsINC code: MMs00681580

Type: Neutral
Formula: C₂₀H₁₉NO

SMILES:

O=C(Nc1ccccc1C(C)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H19NO/c1-14(2)18-9-5-6-10-19(18)21-20(22)17-12-11-15-7-3-4-8-16(15)13-17/h3-14H,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0459 kcal/mol

Physical Properties
Molecular Weight: 289.378 g/mol	logS: -6.42366	SlogP: 5.2155	Reactive groups: 0

Topological Properties
Globularity: 0.0356644	Sterimol/B1: 2.44246	Sterimol/B2: 2.5609	Sterimol/B3: 4.7654
Sterimol/B4: 7.50475	Sterimol/L: 16.0039

Surface and Volume Properties
Accessible surface: 547.399	Positive charged surface: 304.238	Negative charged surface: 232.498	Volume: 301.125
Hydrophobic surface: 480.177	Hydrophilic surface: 67.222

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.